SCHEMBL2129045

SCHEMBL2129045

C=CCC(CO)(CCc1ccc(Sc2cc(C(F)(F)F)ccc2O)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
CCR2 P41597 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2129039 1.00 IDO1 (0.33) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2130018 0.92 MAPT (0.33) IDO1KDM4EMEN1ALDH1A1HPGD
SCHEMBL2130009 0.92 MAPT (0.33) IDO1KDM4EMEN1ALDH1A1HPGD
SCHEMBL19114258 0.91 IDO1 (0.34) IDO1KDM4EMEN1ALDH1A1HPGD
SCHEMBL10104772 0.90 IDO1 (0.34) IDO1KDM4EMEN1ALDH1A1HPGD
SCHEMBL2131321 0.90 IDO1 (0.34) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2131316 0.90 IDO1 (0.34) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2128066 0.89 CCR2 (0.31) CCR2
SCHEMBL2128053 0.89 CCR2 (0.31) CCR2
SCHEMBL2133547 0.87 IDO1 (0.36) IDO1CCR2KDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 IDO1 814/4885CCR2 319/4885KDM4E 2569/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.